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114081-38-8 | 2H-Tetrazole-5-propanamide
CAS No: 114081-38-8 Catalog No: AG000AI5 MDL No:
Product Description
Catalog Number:
AG000AI5
Chemical Name:
2H-Tetrazole-5-propanamide
CAS Number:
114081-38-8
Molecular Formula:
C4H7N5O
Molecular Weight:
141.1313
IUPAC Name:
3-(2H-tetrazol-5-yl)propanamide
InChI:
InChI=1S/C4H7N5O/c5-3(10)1-2-4-6-8-9-7-4/h1-2H2,(H2,5,10)(H,6,7,8,9)
InChI Key:
HYDBORFJQFFMLC-UHFFFAOYSA-N
SMILES:
NC(=O)CCc1n[nH]nn1
Properties
Complexity:
127
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
141.065g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
141.134g/mol
Monoisotopic Mass:
141.065g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
97.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.4
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